#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkg n ALA 958 N 0.00 0.00 -3.64 4.31 0.00 -1.26 -5.10 120.51 114.81 1gkg n ALA 958 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1gkg n ALA 958 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1gkg n ALA 958 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1gkg s GLU 959 N 0.00 0.35 1.68 0.00 -1.05 -1.26 -5.07 118.70 113.36 1gkg s GLU 959 Ca 0.00 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.38 1gkg s GLU 959 Cb 0.00 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1gkg s GLU 959 CO 0.00 -0.07 0.00 0.00 0.95 0.00 0.00 175.26 176.14 1gkg n ALA 960 N 3.32 0.00 -1.16 -0.84 0.00 -1.26 -4.90 120.51 115.67 1gkg n ALA 960 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.29 1gkg n ALA 960 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 1gkg n ALA 960 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1gkg n LYS 961 N 0.00 -2.97 -3.76 0.00 3.00 -1.26 -4.45 118.16 108.72 1gkg n LYS 961 Ca 0.00 2.33 -0.13 0.00 -0.00 0.00 0.00 58.31 60.50 1gkg n LYS 961 Cb 0.00 -2.98 -0.09 0.00 0.00 0.00 0.00 35.03 31.97 1gkg n LYS 961 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1gkg s SER 962 N -5.10 -0.20 0.39 3.14 1.04 -1.26 -3.05 113.70 108.66 1gkg s SER 962 Ca 0.00 0.11 -0.23 0.00 0.48 0.00 0.00 55.95 56.31 1gkg s SER 962 Cb 0.00 0.32 -0.10 0.00 0.10 0.00 0.00 66.02 66.34 1gkg s SER 962 CO 0.00 -0.45 0.95 0.00 0.98 0.00 0.00 173.24 174.72 1gkg s LYS 964 N -2.70 4.23 -0.02 0.00 2.20 -1.26 -4.73 119.74 117.45 1gkg s LYS 964 Ca 0.57 2.39 -0.36 0.00 -0.36 0.00 0.00 55.97 58.21 1gkg s LYS 964 Cb -0.13 -3.04 -0.14 0.00 -1.51 0.00 0.00 37.83 33.00 1gkg s LYS 964 CO 0.18 -0.41 1.64 2.41 -0.36 0.00 0.00 175.35 178.81 1gkg n THR 965 N 1.23 0.22 -2.24 3.43 -1.04 -1.26 -4.90 114.28 109.72 1gkg n THR 965 Ca 0.03 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 1gkg n THR 965 Cb 0.40 -1.39 -0.03 0.00 -1.82 0.00 0.00 70.33 67.50 1gkg n THR 965 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1gkg s PRO 966 N 2.23 4.32 0.31 -2.82 0.04 -1.26 -4.99 135.00 132.84 1gkg s PRO 966 Ca 0.88 1.96 -0.29 0.00 0.04 0.00 0.00 61.00 63.59 1gkg s PRO 966 Cb -0.83 -3.43 -0.10 0.00 0.04 0.00 0.00 34.50 30.17 1gkg s PRO 966 CO 0.50 -0.47 1.32 -1.25 0.04 0.00 0.00 177.00 177.14 1gkg s PRO 967 N 1.75 4.35 -0.42 0.56 0.04 -1.26 -4.85 135.00 135.17 1gkg s PRO 967 Ca 0.63 2.22 -0.42 0.00 0.04 0.00 0.00 61.00 63.46 1gkg s PRO 967 Cb -0.33 -3.08 -0.17 0.00 0.04 0.00 0.00 34.50 30.96 1gkg s PRO 967 CO 0.28 -0.22 1.90 -0.40 0.04 0.00 0.00 177.00 178.60 1gkg n ASP 968 N 1.11 1.52 -4.76 6.66 5.75 -1.26 -4.87 116.55 120.69 1gkg n ASP 968 Ca 0.01 0.88 -0.36 0.00 -0.01 0.00 0.00 54.79 55.31 1gkg n ASP 968 Cb 0.42 -1.01 0.02 0.00 -1.03 0.00 0.00 41.12 39.51 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1gkg s PRO 969 N 4.59 3.22 -0.77 0.11 0.04 -1.26 -4.82 135.00 136.12 1gkg s PRO 969 Ca 1.09 1.75 -0.32 0.00 0.04 0.00 0.00 61.00 63.55 1gkg s PRO 969 Cb -1.29 -2.02 -0.18 0.00 0.04 0.00 0.00 34.50 31.05 1gkg s PRO 969 CO 0.68 -0.98 2.52 1.55 0.04 0.00 0.00 177.00 180.81 1gkg n VAL 970 N -1.33 0.00 0.00 -0.36 3.14 -1.26 -1.41 118.33 117.11 1gkg n VAL 970 Ca 0.12 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1gkg n VAL 970 Cb 0.50 -1.05 0.00 0.00 -1.06 0.00 0.00 33.84 32.23 1gkg n VAL 970 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1gkg n ASN 971 N 11.08 0.00 -2.83 6.55 4.13 -1.26 -2.77 115.26 130.15 1gkg n ASN 971 Ca 0.57 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.74 1gkg n ASN 971 Cb 0.14 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.45 1gkg n ASN 971 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gkg n GLY 972 N 0.00 -2.67 3.41 7.41 0.00 -0.50 -4.70 105.19 108.14 1gkg n GLY 972 Ca 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 1gkg n GLY 972 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gkg s MET 973 N -3.70 0.56 0.18 1.61 -1.94 -1.26 -4.17 119.30 110.57 1gkg s MET 973 Ca 0.20 0.84 -0.08 0.00 -1.71 0.00 0.00 55.69 54.94 1gkg s MET 973 Cb -0.02 0.17 -0.06 0.00 2.01 0.00 0.00 34.83 36.92 1gkg s MET 973 CO 0.16 -0.11 0.47 0.54 -0.01 0.00 0.00 175.02 176.06 1gkg s VAL 974 N 0.87 5.04 -0.24 -6.03 0.11 -1.26 -1.73 120.40 117.16 1gkg s VAL 974 Ca -0.05 0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.32 1gkg s VAL 974 Cb -0.05 -3.62 0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1gkg s VAL 974 CO -0.07 0.00 -0.13 -1.00 -3.33 0.00 0.00 175.10 170.58 1gkg s HIS 975 N -1.72 3.09 0.08 1.54 3.76 -0.31 -4.93 115.29 116.80 1gkg s HIS 975 Ca 0.44 -1.99 -0.25 0.00 -0.15 0.00 0.00 55.06 53.10 1gkg s HIS 975 Cb -0.12 -1.95 -0.16 0.00 1.11 0.00 0.00 32.58 31.46 1gkg s HIS 975 CO 0.22 -0.83 1.66 0.28 -0.85 0.00 0.00 174.74 175.22 1gkg h VAL 976 N 6.42 0.87 0.00 -0.90 2.07 -1.96 -2.57 116.25 120.18 1gkg h VAL 976 Ca -0.29 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1gkg h VAL 976 Cb 1.08 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1gkg h VAL 976 CO 0.53 0.02 0.00 -0.38 0.02 0.00 0.00 177.57 177.77 1gkg n ILE 977 N -5.16 0.00 0.07 4.57 5.41 -1.26 -4.23 119.36 118.76 1gkg n ILE 977 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1gkg n ILE 977 Cb 0.13 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.06 1gkg n ILE 977 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1gkg n THR 978 N 0.00 0.06 -0.75 1.39 -2.24 -1.26 -5.05 114.28 106.43 1gkg n THR 978 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1gkg n THR 978 Cb 0.00 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1gkg n THR 978 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1gkg n ASP 979 N -3.01 0.00 -3.28 3.42 2.03 -1.26 -5.06 116.55 109.40 1gkg n ASP 979 Ca 0.00 -0.38 -0.11 0.00 0.52 0.00 0.00 54.79 54.82 1gkg n ASP 979 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1gkg n ILE 980 N 0.00 -7.85 -3.99 5.18 -5.35 -1.26 -4.94 119.36 101.15 1gkg n ILE 980 Ca 0.00 -0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.37 1gkg n ILE 980 Cb 0.11 -5.57 -0.03 0.00 -1.74 0.00 0.00 39.64 32.41 1gkg n ILE 980 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg s GLN 981 N -3.48 1.82 0.20 6.28 -2.07 -1.26 -2.98 119.66 118.18 1gkg s GLN 981 Ca 0.06 -1.46 -0.30 0.00 -1.82 0.00 0.00 55.36 51.84 1gkg s GLN 981 Cb -0.01 0.50 -0.16 0.00 -1.09 0.00 0.00 33.01 32.24 1gkg s GLN 981 CO 0.81 -0.78 0.77 0.28 -1.32 0.00 0.00 175.29 175.04 1gkg n VAL 982 N -0.48 1.67 0.00 3.63 0.31 -1.17 -1.02 118.33 121.27 1gkg n VAL 982 Ca -0.02 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1gkg n VAL 982 Cb 0.61 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 1gkg n VAL 982 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gkg n GLY 983 N 1.77 1.29 3.68 2.92 0.00 -0.62 -4.94 105.19 109.28 1gkg n GLY 983 Ca 0.16 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1gkg n GLY 983 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gkg s SER 984 N 0.00 6.74 -0.26 1.61 0.01 -0.19 -4.69 113.70 116.92 1gkg s SER 984 Ca 0.00 2.21 -0.10 0.00 1.31 0.00 0.00 55.95 59.37 1gkg s SER 984 Cb 0.00 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 1gkg s SER 984 CO 0.00 -0.83 0.16 -0.60 0.41 0.00 0.00 173.24 172.38 1gkg s ARG 985 N 3.03 3.91 0.38 12.44 3.52 -1.26 -2.11 118.95 138.85 1gkg s ARG 985 Ca 0.69 -0.35 -0.00 0.00 -0.13 0.00 0.00 55.73 55.94 1gkg s ARG 985 Cb -0.33 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.47 1gkg s ARG 985 CO 0.28 -0.13 0.59 0.96 -0.81 0.00 0.00 175.30 176.19 1gkg s ILE 986 N 1.57 4.92 -0.07 4.11 -4.36 -0.50 -4.87 121.20 122.01 1gkg s ILE 986 Ca 0.07 -0.40 -0.04 0.00 -0.26 0.00 0.00 60.65 60.02 1gkg s ILE 986 Cb -0.15 -3.81 0.03 0.00 1.25 0.00 0.00 42.46 39.78 1gkg s ILE 986 CO 0.08 -0.56 0.16 0.42 0.24 0.00 0.00 174.94 175.28 1gkg s THR 987 N -2.40 -0.04 0.00 8.37 -4.23 -0.97 -0.52 115.64 115.86 1gkg s THR 987 Ca 0.42 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1gkg s THR 987 Cb -0.10 -0.25 0.00 0.00 1.34 0.00 0.00 72.50 73.49 1gkg s THR 987 CO 0.37 0.05 0.00 -1.22 -0.54 0.00 0.00 174.62 173.29 1gkg n TYR 988 N 3.93 -3.05 0.00 3.99 4.02 -0.42 -1.16 117.16 124.48 1gkg n TYR 988 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 1gkg n TYR 988 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1gkg n TYR 988 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1gkg n SER 989 N -2.43 0.00 0.00 7.72 2.88 -0.70 -4.82 113.62 116.26 1gkg n SER 989 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1gkg n SER 989 Cb 0.00 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1gkg n SER 989 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gkg s THR 991 N 0.00 0.00 -0.22 0.00 -1.32 -1.26 -4.69 115.64 108.15 1gkg s THR 991 Ca 0.00 0.00 -0.34 0.00 -1.21 0.00 0.00 61.69 60.14 1gkg s THR 991 Cb 0.00 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.88 1gkg s THR 991 CO 0.00 0.00 2.04 0.41 -2.21 0.00 0.00 174.62 174.86 1gkg n THR 992 N -0.01 0.38 0.00 5.08 -1.04 -1.26 -3.13 114.28 114.31 1gkg n THR 992 Ca -0.03 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1gkg n THR 992 Cb 0.59 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 1gkg n THR 992 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gkg n GLY 993 N 5.39 1.05 2.92 3.41 0.00 -1.26 -5.13 105.19 111.57 1gkg n GLY 993 Ca 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 1gkg n GLY 993 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 994 N 0.00 0.18 -0.06 1.61 4.02 -1.18 -3.76 115.29 116.10 1gkg s HIS 994 Ca 0.00 -0.17 -0.30 0.00 1.02 0.00 0.00 55.06 55.61 1gkg s HIS 994 Cb 0.00 -0.12 -0.02 0.00 -1.02 0.00 0.00 32.58 31.42 1gkg s HIS 994 CO 0.00 -0.05 0.99 -0.98 1.02 0.00 0.00 174.74 175.72 1gkg s ARG 995 N -0.47 4.48 0.04 1.40 1.70 -0.59 -4.75 118.95 120.76 1gkg s ARG 995 Ca -0.04 1.40 -0.30 0.00 -0.47 0.00 0.00 55.73 56.32 1gkg s ARG 995 Cb -0.03 -3.51 -0.05 0.00 -0.57 0.00 0.00 34.95 30.79 1gkg s ARG 995 CO -0.00 -0.20 1.13 -1.17 -1.08 0.00 0.00 175.30 173.97 1gkg s LEU 996 N 1.59 4.37 0.02 -1.89 0.20 -1.26 -0.79 118.68 120.92 1gkg s LEU 996 Ca 0.50 1.89 0.00 0.00 0.69 0.00 0.00 54.13 57.21 1gkg s LEU 996 Cb -0.19 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 41.95 1gkg s LEU 996 CO 0.22 -0.40 0.09 -0.63 -0.29 0.00 0.00 176.35 175.34 1gkg s ILE 997 N 1.08 4.73 0.13 6.68 1.09 0.79 -4.95 121.20 130.76 1gkg s ILE 997 Ca 0.56 -0.48 0.00 0.00 -1.10 0.00 0.00 60.65 59.63 1gkg s ILE 997 Cb -0.27 -3.20 0.00 0.00 -1.06 0.00 0.00 42.46 37.94 1gkg s ILE 997 CO 0.29 0.29 0.00 0.61 -0.10 0.00 0.00 174.94 176.02 1gkg n GLY 998 N 0.97 -2.14 3.69 6.18 0.00 -1.26 -1.87 105.19 110.76 1gkg n GLY 998 Ca -0.12 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1gkg n GLY 998 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 999 N -2.35 3.19 0.13 1.61 3.76 -1.26 -4.90 115.29 115.47 1gkg s HIS 999 Ca 0.00 1.20 -0.15 0.00 -0.15 0.00 0.00 55.06 55.96 1gkg s HIS 999 Cb 0.00 -3.44 -0.01 0.00 1.11 0.00 0.00 32.58 30.25 1gkg s HIS 999 CO 0.00 -1.38 1.62 0.66 -0.85 0.00 0.00 174.74 174.79 1gkg h SER 1000N 7.42 0.65 -3.69 1.40 4.64 -1.93 -3.42 113.55 118.62 1gkg h SER 1000Ca -0.35 -0.25 -0.50 0.00 -0.47 0.00 0.00 61.79 60.22 1gkg h SER 1000Cb 1.17 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1gkg h SER 1000CO 0.87 0.73 0.23 -0.44 -0.87 0.00 0.00 176.83 177.35 1gkg s SER 1001N -6.06 7.30 -0.30 4.97 0.01 -1.26 -1.29 113.70 117.06 1gkg s SER 1001Ca -0.13 1.67 -0.08 0.00 1.31 0.00 0.00 55.95 58.73 1gkg s SER 1001Cb 0.10 -2.51 0.15 0.00 0.21 0.00 0.00 66.02 63.97 1gkg s SER 1001CO 0.78 0.05 0.69 0.00 0.41 0.00 0.00 173.24 175.17 1gkg s ALA 1002N -1.43 -2.25 -0.01 1.44 0.00 0.32 -4.81 121.76 115.02 1gkg s ALA 1002Ca 0.44 2.12 -0.24 0.00 0.00 0.00 0.00 51.96 54.28 1gkg s ALA 1002Cb -0.20 -1.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 1gkg s ALA 1002CO 0.24 -1.08 0.72 -2.00 0.00 0.00 0.00 175.76 173.64 1gkg s GLU 1003N 2.84 4.45 -0.80 0.00 2.12 -1.26 -1.42 118.70 124.63 1gkg s GLU 1003Ca 0.03 0.95 -0.25 0.00 0.36 0.00 0.00 54.97 56.06 1gkg s GLU 1003Cb -0.12 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1gkg s GLU 1003CO -0.19 0.19 1.92 0.00 -0.54 0.00 0.00 175.26 176.64 1gkg n ILE 1005N 7.65 0.00 -3.65 0.00 -5.35 -0.46 -1.59 119.36 115.96 1gkg n ILE 1005Ca 0.33 -1.15 -0.05 0.00 -0.27 0.00 0.00 62.75 61.61 1gkg n ILE 1005Cb 0.49 -1.21 -0.07 0.00 -1.74 0.00 0.00 39.64 37.11 1gkg n ILE 1005CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1gkg s LEU 1006N 0.00 -0.91 -0.16 7.28 2.96 -1.26 -1.45 118.68 125.14 1gkg s LEU 1006Ca 0.60 1.43 -0.23 0.00 -0.22 0.00 0.00 54.13 55.71 1gkg s LEU 1006Cb -0.03 2.16 -0.23 0.00 0.50 0.00 0.00 46.19 48.59 1gkg s LEU 1006CO 0.41 -0.23 0.49 -1.28 -1.32 0.00 0.00 176.35 174.42 1gkg h SER 1007N 7.48 0.07 0.00 3.68 0.87 -1.96 -3.50 113.55 120.19 1gkg h SER 1007Ca -0.25 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.56 1gkg h SER 1007Cb 1.17 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1gkg h SER 1007CO 0.15 1.33 0.00 0.61 -0.53 0.00 0.00 176.83 178.39 1gkg n GLY 1008N 1.55 0.31 0.17 5.77 0.00 -1.26 -5.01 105.19 106.71 1gkg n GLY 1008Ca -0.22 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1gkg n GLY 1008CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1gkg h ASN 1009N 0.00 -0.27 -4.89 1.61 -1.24 -2.03 -3.47 115.58 105.30 1gkg h ASN 1009Ca 0.00 -0.26 -0.11 0.00 0.71 0.00 0.00 56.30 56.65 1gkg h ASN 1009Cb 0.00 0.07 -0.20 0.00 0.73 0.00 0.00 38.32 38.92 1gkg h ASN 1009CO 0.00 0.21 -0.20 -0.89 -1.29 0.00 0.00 177.43 175.26 1gkg s THR 1010N -3.77 0.04 0.36 -3.57 2.01 -1.26 -5.15 115.64 104.30 1gkg s THR 1010Ca -0.13 -0.36 -0.26 0.00 0.31 0.00 0.00 61.69 61.25 1gkg s THR 1010Cb 0.01 -0.66 -0.09 0.00 0.01 0.00 0.00 72.50 71.76 1gkg s THR 1010CO 0.47 -0.20 1.06 0.00 -0.69 0.00 0.00 174.62 175.25 1gkg s ALA 1011N -1.16 3.19 -0.02 7.40 0.00 -1.26 -4.23 121.76 125.68 1gkg s ALA 1011Ca -0.12 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.42 1gkg s ALA 1011Cb -0.04 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1gkg s ALA 1011CO 0.05 -0.17 0.35 -3.38 0.00 0.00 0.00 175.76 172.61 1gkg s HIS 1012N -1.49 -0.23 0.17 0.00 -3.43 -0.53 -4.52 115.29 105.26 1gkg s HIS 1012Ca 0.53 0.36 -0.31 0.00 -0.80 0.00 0.00 55.06 54.84 1gkg s HIS 1012Cb -0.25 0.13 -0.09 0.00 -1.43 0.00 0.00 32.58 30.95 1gkg s HIS 1012CO 0.32 -0.41 1.36 -1.58 -2.00 0.00 0.00 174.74 172.42 1gkg s TRP 1013N -1.31 3.22 0.60 0.38 0.52 -1.26 -1.35 118.94 119.74 1gkg s TRP 1013Ca -0.13 1.07 0.29 0.00 0.02 0.00 0.00 56.10 57.34 1gkg s TRP 1013Cb -0.05 -3.67 1.49 0.00 -1.15 0.00 0.00 33.47 30.09 1gkg s TRP 1013CO 0.05 -2.22 1.89 0.66 0.02 0.00 0.00 176.95 177.35 1gkg h SER 1014N 5.96 0.00 -4.16 2.95 4.64 -1.73 -3.40 113.55 117.81 1gkg h SER 1014Ca -0.44 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.46 1gkg h SER 1014Cb 1.21 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.02 1gkg h SER 1014CO 0.81 0.00 -0.79 0.42 -0.87 0.00 0.00 176.83 176.40 1gkg s THR 1015N -4.52 0.90 0.79 2.95 -4.23 -1.26 -5.03 115.64 105.24 1gkg s THR 1015Ca -0.04 -0.57 -0.14 0.00 -1.18 0.00 0.00 61.69 59.76 1gkg s THR 1015Cb 0.14 -0.77 0.04 0.00 1.34 0.00 0.00 72.50 73.26 1gkg s THR 1015CO 0.49 0.19 0.95 2.29 -0.54 0.00 0.00 174.62 178.00 1gkg n LYS 1016N 2.63 0.21 -1.65 3.99 2.85 -1.26 -4.84 118.16 120.09 1gkg n LYS 1016Ca -0.15 0.14 -0.45 0.00 -1.05 0.00 0.00 58.31 56.80 1gkg n LYS 1016Cb 0.56 -2.23 -0.04 0.00 -0.65 0.00 0.00 35.03 32.67 1gkg n LYS 1016CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1gkg n PRO 1017N -2.38 2.40 -0.85 -1.58 -0.04 -1.26 -4.68 135.00 126.62 1gkg n PRO 1017Ca 0.12 0.85 -0.31 0.00 -0.04 0.00 0.00 63.50 64.12 1gkg n PRO 1017Cb 0.50 -2.88 0.15 0.00 -0.04 0.00 0.00 33.50 31.23 1gkg n PRO 1017CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1gkg s PRO 1018N 4.69 1.28 -0.07 0.54 0.04 -1.26 -4.96 135.00 135.26 1gkg s PRO 1018Ca 0.93 1.55 -0.03 0.00 0.04 0.00 0.00 61.00 63.49 1gkg s PRO 1018Cb -0.54 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.29 1gkg s PRO 1018CO 0.45 -2.44 0.16 0.96 0.04 0.00 0.00 177.00 176.18 1gkg s ILE 1019N -2.57 -0.10 -0.40 0.56 -4.36 -0.78 -4.57 121.20 108.98 1gkg s ILE 1019Ca 0.67 0.21 -0.23 0.00 -0.26 0.00 0.00 60.65 61.05 1gkg s ILE 1019Cb -0.23 -0.27 0.01 0.00 1.25 0.00 0.00 42.46 43.22 1gkg s ILE 1019CO 0.56 0.09 0.77 0.00 0.24 0.00 0.00 174.94 176.60 1gkg s GLN 1021N 3.15 4.19 0.13 0.00 -1.52 0.03 -4.73 119.66 120.92 1gkg s GLN 1021Ca 0.30 0.80 -0.31 0.00 -1.95 0.00 0.00 55.36 54.20 1gkg s GLN 1021Cb -0.13 -2.85 -0.10 0.00 -0.22 0.00 0.00 33.01 29.71 1gkg s GLN 1021CO 0.19 0.39 1.62 0.50 -0.25 0.00 0.00 175.29 177.74 1gkg s ARG 1022N -2.05 4.20 0.12 2.91 6.06 -1.26 -1.55 118.95 127.38 1gkg s ARG 1022Ca 0.43 2.38 -0.31 0.00 -2.50 0.00 0.00 55.73 55.73 1gkg s ARG 1022Cb -0.16 -3.32 -0.09 0.00 0.06 0.00 0.00 34.95 31.44 1gkg s ARG 1022CO 0.20 -0.67 1.56 0.42 -2.50 0.00 0.00 175.30 174.32 1gkg s ILE 1023N 1.73 2.89 -0.07 4.11 -1.09 -1.25 -4.87 121.20 122.65 1gkg s ILE 1023Ca 0.72 0.55 -0.11 0.00 -2.23 0.00 0.00 60.65 59.59 1gkg s ILE 1023Cb -0.43 -3.35 -0.05 0.00 -1.58 0.00 0.00 42.46 37.05 1gkg s ILE 1023CO 0.32 0.03 0.26 -2.16 -1.23 0.00 0.00 174.94 172.16 1gkg s PRO 1024N 1.66 3.70 -0.09 2.79 0.04 -1.15 -3.82 135.00 138.12 1gkg s PRO 1024Ca 0.70 0.11 0.01 0.00 0.04 0.00 0.00 61.00 61.86 1gkg s PRO 1024Cb -0.41 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 1gkg s PRO 1024CO 0.31 0.71 -0.11 0.00 0.04 0.00 0.00 177.00 177.94 1gkg n GLY 1026N 2.88 -0.04 3.81 0.00 0.00 -1.15 -3.39 105.19 107.30 1gkg n GLY 1026Ca -0.18 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 1gkg n GLY 1026CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkg s LEU 1027N 0.00 4.24 0.61 0.99 1.43 -1.26 -4.56 118.68 120.12 1gkg s LEU 1027Ca 0.00 1.57 -0.19 0.00 -1.03 0.00 0.00 54.13 54.48 1gkg s LEU 1027Cb 0.00 -3.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 1gkg s LEU 1027CO 0.00 -0.10 1.25 -2.16 0.23 0.00 0.00 176.35 175.57 1gkg s PRO 1028N -2.34 2.83 -0.34 1.29 0.04 -1.26 -4.84 135.00 130.38 1gkg s PRO 1028Ca 0.50 1.94 -0.42 0.00 0.04 0.00 0.00 61.00 63.06 1gkg s PRO 1028Cb -0.15 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 32.31 1gkg s PRO 1028CO 0.20 -1.35 1.73 -0.35 0.04 0.00 0.00 177.00 177.27 1gkg n PRO 1029N -1.67 0.88 -2.65 0.56 -0.04 -1.26 -4.90 135.00 125.91 1gkg n PRO 1029Ca 0.14 0.32 -0.37 0.00 -0.04 0.00 0.00 63.50 63.56 1gkg n PRO 1029Cb 0.49 -1.97 -0.05 0.00 -0.04 0.00 0.00 33.50 31.92 1gkg n PRO 1029CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1gkg s THR 1030N 3.57 3.95 -0.20 0.52 -4.23 -1.26 -4.69 115.64 113.30 1gkg s THR 1030Ca 1.01 1.55 -0.04 0.00 -1.18 0.00 0.00 61.69 63.02 1gkg s THR 1030Cb -1.17 -3.83 0.10 0.00 1.34 0.00 0.00 72.50 68.95 1gkg s THR 1030CO 0.69 0.06 0.35 -0.51 -0.54 0.00 0.00 174.62 174.67 1gkg s ILE 1031N -1.64 -0.54 0.47 2.99 2.07 -1.26 -4.87 121.20 118.42 1gkg s ILE 1031Ca 0.54 0.06 -0.23 0.00 -1.41 0.00 0.00 60.65 59.61 1gkg s ILE 1031Cb -0.20 -0.68 -0.08 0.00 0.13 0.00 0.00 42.46 41.63 1gkg s ILE 1031CO 0.26 -0.03 1.21 0.00 -1.91 0.00 0.00 174.94 174.47 1gkg n ALA 1032N 5.36 1.04 0.00 1.50 0.00 -1.26 -2.06 120.51 125.09 1gkg n ALA 1032Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1gkg n ALA 1032Cb 0.50 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1gkg n ALA 1032CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gkg n ASN 1033N -0.15 0.00 -3.61 0.00 4.13 -1.26 -4.90 115.26 109.47 1gkg n ASN 1033Ca 0.09 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.05 1gkg n ASN 1033Cb 0.42 0.00 0.27 0.00 -1.54 0.00 0.00 39.78 38.93 1gkg n ASN 1033CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1gkg s GLY 1034N 0.00 1.48 -0.24 7.41 0.00 -0.87 0.20 107.32 115.30 1gkg s GLY 1034Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 1gkg s GLY 1034CO 0.00 0.11 0.57 0.99 0.00 0.00 0.00 173.10 174.77 1gkg s ASP 1035N -3.42 -0.77 0.25 1.64 1.11 -1.26 -4.52 116.67 109.70 1gkg s ASP 1035Ca 0.70 1.28 -0.21 0.00 0.18 0.00 0.00 52.55 54.50 1gkg s ASP 1035Cb -0.12 1.34 -0.09 0.00 1.07 0.00 0.00 42.92 45.12 1gkg s ASP 1035CO 0.57 -0.22 0.78 0.72 1.18 0.00 0.00 175.17 178.20 1gkg s PHE 1036N 1.87 3.65 -0.45 4.23 -0.12 -1.26 -1.20 117.98 124.71 1gkg s PHE 1036Ca -0.08 1.48 0.03 0.00 -0.05 0.00 0.00 56.93 58.30 1gkg s PHE 1036Cb -0.08 -2.69 0.15 0.00 -0.63 0.00 0.00 43.02 39.77 1gkg s PHE 1036CO -0.17 0.30 0.30 0.42 -0.05 0.00 0.00 175.22 176.02 1gkg s ILE 1037N -1.55 1.02 0.00 -4.49 -1.09 0.15 -4.91 121.20 110.33 1gkg s ILE 1037Ca 0.45 -2.65 0.00 0.00 -2.23 0.00 0.00 60.65 56.22 1gkg s ILE 1037Cb -0.17 -1.70 0.00 0.00 -1.58 0.00 0.00 42.46 39.01 1gkg s ILE 1037CO 0.21 -1.04 0.00 -0.24 -1.23 0.00 0.00 174.94 172.65 1gkg n SER 1038N 3.21 0.00 0.08 3.58 2.88 -1.26 -3.28 113.62 118.83 1gkg n SER 1038Ca 0.18 -0.12 0.12 0.00 -1.33 0.00 0.00 58.87 57.72 1gkg n SER 1038Cb 0.39 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.31 1gkg n SER 1038CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1gkg n THR 1039N 0.00 0.64 -1.56 2.46 -2.24 -1.26 -4.88 114.28 107.45 1gkg n THR 1039Ca 0.00 0.01 -0.48 0.00 -2.27 0.00 0.00 64.05 61.31 1gkg n THR 1039Cb 0.00 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.37 1gkg n THR 1039CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1gkg n ASN 1040N -2.04 0.95 0.00 3.42 5.03 -1.26 -4.84 115.26 116.52 1gkg n ASN 1040Ca 0.04 1.15 0.00 0.00 0.87 0.00 0.00 54.58 56.64 1gkg n ASN 1040Cb 0.31 -1.19 0.00 0.00 -1.02 0.00 0.00 39.78 37.88 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1gkg n ARG 1041N 1.38 0.00 -3.58 3.52 5.12 -1.26 -5.07 116.66 116.77 1gkg n ARG 1041Ca 0.14 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.92 1gkg n ARG 1041Cb 0.26 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.49 1gkg n ARG 1041CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1gkg s GLU 1042N 0.00 0.81 -0.52 5.56 1.03 -1.26 -5.00 118.70 119.32 1gkg s GLU 1042Ca 0.00 0.53 -0.03 0.00 0.03 0.00 0.00 54.97 55.50 1gkg s GLU 1042Cb 0.00 0.39 -0.03 0.00 -0.80 0.00 0.00 34.13 33.69 1gkg s GLU 1042CO 0.00 -0.19 0.45 0.09 -1.33 0.00 0.00 175.26 174.29 1gkg n ASN 1043N 1.65 -3.97 -4.72 0.83 5.03 -1.26 -4.98 115.26 107.84 1gkg n ASN 1043Ca -0.15 -0.34 -0.42 0.00 0.87 0.00 0.00 54.58 54.55 1gkg n ASN 1043Cb 0.56 -2.79 -0.03 0.00 -1.02 0.00 0.00 39.78 36.50 1gkg n ASN 1043CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1gkg s PHE 1044N -3.19 3.59 -0.07 3.10 0.40 -1.22 -4.98 117.98 115.62 1gkg s PHE 1044Ca 0.19 1.55 -0.04 0.00 -0.60 0.00 0.00 56.93 58.03 1gkg s PHE 1044Cb -0.03 -3.26 -0.01 0.00 0.51 0.00 0.00 43.02 40.23 1gkg s PHE 1044CO 0.36 -0.57 -0.09 0.72 0.70 0.00 0.00 175.22 176.34 1gkg n HIS 1045N 3.28 0.44 0.00 0.36 8.25 -1.26 -0.90 115.22 125.38 1gkg n HIS 1045Ca 0.05 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1gkg n HIS 1045Cb 0.48 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1gkg n HIS 1045CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1gkg n TYR 1046N -3.37 0.00 -3.16 4.41 9.36 -1.25 0.56 117.16 123.71 1gkg n TYR 1046Ca -0.03 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.19 1gkg n TYR 1046Cb 0.13 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.83 1gkg n TYR 1046CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1gkg s GLY 1047N 0.00 -1.28 0.00 2.98 0.00 -1.26 -5.00 107.32 102.76 1gkg s GLY 1047Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.92 1gkg s GLY 1047CO 0.00 3.69 0.00 -1.14 0.00 0.00 0.00 173.10 175.65 1gkg n SER 1048N 4.28 0.00 -3.04 1.64 3.41 -1.26 -5.05 113.62 113.60 1gkg n SER 1048Ca 0.11 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.64 1gkg n SER 1048Cb 0.57 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 1gkg n SER 1048CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1gkg n VAL 1049N -0.38 0.00 -3.68 -3.33 0.24 -1.26 -2.77 118.33 107.15 1gkg n VAL 1049Ca 0.00 -0.77 -0.09 0.00 -2.04 0.00 0.00 64.34 61.44 1gkg n VAL 1049Cb 0.00 -0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 31.81 1gkg n VAL 1049CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gkg s VAL 1050N -0.80 -0.05 -0.28 3.34 0.11 0.40 -4.31 120.40 118.80 1gkg s VAL 1050Ca 0.14 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1gkg s VAL 1050Cb -0.01 -0.72 0.05 0.00 -1.53 0.00 0.00 36.38 34.17 1gkg s VAL 1050CO 0.09 0.03 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.95 1gkg s THR 1051N 1.52 2.65 0.72 5.04 2.01 -1.21 -1.60 115.64 124.78 1gkg s THR 1051Ca -0.09 -1.44 -0.12 0.00 0.31 0.00 0.00 61.69 60.35 1gkg s THR 1051Cb -0.08 -2.51 0.03 0.00 0.01 0.00 0.00 72.50 69.95 1gkg s THR 1051CO -0.15 -0.04 1.09 -0.31 -0.69 0.00 0.00 174.62 174.53 1gkg s TYR 1052N 1.20 2.67 0.00 4.92 1.51 0.22 0.30 117.35 128.18 1gkg s TYR 1052Ca -0.06 1.54 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 1gkg s TYR 1052Cb -0.19 -3.07 0.00 0.00 -0.11 0.00 0.00 41.96 38.59 1gkg s TYR 1052CO -0.03 -1.66 0.00 -2.13 -1.11 0.00 0.00 175.55 170.62 1gkg n ARG 1053N -3.03 1.18 -1.03 -0.62 0.63 -0.34 -4.86 116.66 108.59 1gkg n ARG 1053Ca 0.09 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.15 1gkg n ARG 1053Cb 0.53 -0.10 -0.06 0.00 0.45 0.00 0.00 32.46 33.28 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gkg h ASN 1055N -1.00 0.43 -5.47 0.00 7.08 -0.48 -3.40 115.58 112.75 1gkg h ASN 1055Ca -0.10 0.05 -0.20 0.00 -3.08 0.00 0.00 56.30 52.98 1gkg h ASN 1055Cb 0.97 -0.03 -0.12 0.00 -2.08 0.00 0.00 38.32 37.06 1gkg h ASN 1055CO 0.04 0.27 -0.28 0.18 -2.08 0.00 0.00 177.43 175.56 1gkg n LEU 1056N -4.87 -0.26 0.00 6.14 7.99 -1.16 -2.74 117.00 122.10 1gkg n LEU 1056Ca 0.08 -0.08 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1gkg n LEU 1056Cb 0.21 -1.12 0.00 0.00 -0.11 0.00 0.00 43.42 42.40 1gkg n LEU 1056CO 0.26 0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.79 1gkg n GLY 1057N -0.65 0.67 0.00 -0.72 0.00 -1.26 -1.36 105.19 101.87 1gkg n GLY 1057Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1gkg n GLY 1057CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gkg n SER 1058N 1.45 0.00 0.01 1.61 7.64 -1.11 -5.04 113.62 118.19 1gkg n SER 1058Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1gkg n SER 1058Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1gkg n SER 1058CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1gkg n ARG 1059N -0.40 0.00 -1.52 1.43 3.00 -1.06 -5.03 116.66 113.08 1gkg n ARG 1059Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.83 1gkg n ARG 1059Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.48 1gkg n ARG 1059CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gkg n GLY 1060N -0.01 -0.21 3.75 -0.13 0.00 -1.11 -4.85 105.19 102.64 1gkg n GLY 1060Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1gkg n GLY 1060CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gkg s ARG 1061N 0.03 1.80 -0.60 1.61 0.52 -0.46 -4.84 118.95 117.00 1gkg s ARG 1061Ca 0.02 0.90 -0.24 0.00 -0.52 0.00 0.00 55.73 55.89 1gkg s ARG 1061Cb 0.09 -1.86 -0.21 0.00 0.52 0.00 0.00 34.95 33.48 1gkg s ARG 1061CO -0.03 -1.88 1.85 1.17 0.02 0.00 0.00 175.30 176.43 1gkg n LYS 1062N -3.65 1.13 -3.27 3.54 4.81 -1.26 -4.57 118.16 114.88 1gkg n LYS 1062Ca 0.08 -1.66 -0.06 0.00 -0.87 0.00 0.00 58.31 55.79 1gkg n LYS 1062Cb 0.55 -2.86 -0.04 0.00 0.02 0.00 0.00 35.03 32.70 1gkg n LYS 1062CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1gkg s VAL 1063N 5.87 -0.72 0.13 3.15 -7.23 -1.26 -5.07 120.40 115.27 1gkg s VAL 1063Ca 0.61 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.36 1gkg s VAL 1063Cb 0.14 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.80 1gkg s VAL 1063CO 0.18 -0.24 0.00 0.49 -0.31 0.00 0.00 175.10 175.21 1gkg n PHE 1064N 4.32 -1.03 -3.83 2.82 3.01 -1.26 -2.99 117.46 118.50 1gkg n PHE 1064Ca 0.11 0.55 -0.12 0.00 1.01 0.00 0.00 57.45 59.00 1gkg n PHE 1064Cb 0.52 -1.40 -0.11 0.00 -0.01 0.00 0.00 39.48 38.48 1gkg n PHE 1064CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1gkg s GLU 1065N -4.84 0.32 0.23 -1.08 2.02 -1.26 -4.46 118.70 109.64 1gkg s GLU 1065Ca 0.00 0.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.71 1gkg s GLU 1065Cb 0.00 0.14 -0.09 0.00 0.10 0.00 0.00 34.13 34.28 1gkg s GLU 1065CO 0.00 -0.06 1.33 -1.17 0.02 0.00 0.00 175.26 175.38 1gkg s LEU 1066N -0.45 4.42 -0.04 1.80 2.96 -1.26 -0.72 118.68 125.38 1gkg s LEU 1066Ca -0.05 2.49 -0.01 0.00 -0.22 0.00 0.00 54.13 56.33 1gkg s LEU 1066Cb -0.04 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 43.06 1gkg s LEU 1066CO 0.01 -0.55 0.03 -0.69 -1.32 0.00 0.00 176.35 173.83 1gkg s VAL 1067N -0.14 0.09 0.26 1.68 1.01 -0.61 -4.93 120.40 117.76 1gkg s VAL 1067Ca 0.56 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1gkg s VAL 1067Cb -0.38 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1gkg s VAL 1067CO 0.41 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1gkg n GLY 1068N 4.90 -2.86 3.74 4.51 0.00 -1.26 -2.63 105.19 111.59 1gkg n GLY 1068Ca -0.11 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 1gkg n GLY 1068CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1gkg n GLU 1069N -3.03 -0.66 0.20 1.61 2.13 -1.26 -4.54 120.64 115.10 1gkg n GLU 1069Ca -0.04 -0.08 0.08 0.00 0.66 0.00 0.00 57.16 57.78 1gkg n GLU 1069Cb 0.29 -0.89 0.37 0.00 0.27 0.00 0.00 31.44 31.49 1gkg n GLU 1069CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1gkg h PRO 1070N 0.17 0.00 -2.32 5.31 0.13 -1.93 -3.39 132.00 129.98 1gkg h PRO 1070Ca -0.36 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1gkg h PRO 1070Cb 0.73 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.64 1gkg h PRO 1070CO 0.25 0.29 -0.05 -1.12 -0.23 0.00 0.00 178.00 177.14 1gkg s SER 1071N -6.29 -0.64 0.00 1.44 0.01 -1.25 -0.61 113.70 106.35 1gkg s SER 1071Ca 0.01 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1gkg s SER 1071Cb 0.10 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.51 1gkg s SER 1071CO 0.66 -0.21 0.00 2.30 0.41 0.00 0.00 173.24 176.41 1gkg n ILE 1072N 3.12 0.00 -3.47 1.44 -5.35 -0.63 -4.95 119.36 109.52 1gkg n ILE 1072Ca -0.15 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 1gkg n ILE 1072Cb 0.56 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.43 1gkg n ILE 1072CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 1gkg s TYR 1073N -3.77 -0.52 0.58 4.28 -0.85 -1.26 -0.46 117.35 115.35 1gkg s TYR 1073Ca 0.00 0.52 -0.20 0.00 -0.52 0.00 0.00 57.07 56.87 1gkg s TYR 1073Cb 0.00 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 1gkg s TYR 1073CO 0.00 -0.69 1.29 0.00 -1.52 0.00 0.00 175.55 174.63 1gkg n THR 1075N -1.38 0.00 -3.88 0.00 5.66 -1.19 -4.91 114.28 108.58 1gkg n THR 1075Ca 0.13 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.82 1gkg n THR 1075Cb 0.47 0.85 0.01 0.00 -1.55 0.00 0.00 70.33 70.10 1gkg n THR 1075CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1gkg n SER 1076N 0.00 -2.53 -0.17 1.09 3.41 -0.95 -4.86 113.62 109.61 1gkg n SER 1076Ca 0.00 -1.05 -0.02 0.00 -0.26 0.00 0.00 58.87 57.54 1gkg n SER 1076Cb 0.05 -2.99 0.07 0.00 -0.26 0.00 0.00 64.21 61.09 1gkg n SER 1076CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1gkg h ASN 1077N -1.94 0.22 0.24 4.04 -0.00 -1.94 0.23 115.58 116.43 1gkg h ASN 1077Ca -0.65 0.06 0.00 0.00 -0.00 0.00 0.00 56.30 55.71 1gkg h ASN 1077Cb 1.37 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 39.73 1gkg h ASN 1077CO 0.56 0.15 0.00 0.47 -0.00 0.00 0.00 177.43 178.61 1gkg n ASP 1078N -4.98 0.00 -1.35 6.14 9.92 -1.26 -4.99 116.55 120.02 1gkg n ASP 1078Ca 0.06 -0.39 0.00 0.00 -0.53 0.00 0.00 54.79 53.93 1gkg n ASP 1078Cb 0.21 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 1gkg n ASP 1078CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1gkg n ASP 1079N -1.16 -7.42 -3.69 -2.24 -0.08 0.07 -4.76 116.55 97.28 1gkg n ASP 1079Ca 0.15 1.01 -0.24 0.00 -1.51 0.00 0.00 54.79 54.20 1gkg n ASP 1079Cb 0.14 -3.64 0.06 0.00 2.34 0.00 0.00 41.12 40.02 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gkg n GLN 1080N -0.30 -6.49 0.00 -0.67 6.02 -1.26 -4.78 117.38 109.89 1gkg n GLN 1080Ca 0.00 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 1gkg n GLN 1080Cb 0.00 -5.64 0.00 0.00 1.02 0.00 0.00 30.24 25.62 1gkg n GLN 1080CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1gkg n VAL 1081N -4.65 0.00 -3.35 5.09 0.24 -1.26 -5.01 118.33 109.39 1gkg n VAL 1081Ca -0.08 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.03 1gkg n VAL 1081Cb 0.59 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 33.02 1gkg n VAL 1081CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gkg n GLY 1082N 0.15 -0.24 3.76 7.63 0.00 -1.02 -3.84 105.19 111.63 1gkg n GLY 1082Ca 0.00 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1gkg n GLY 1082CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gkg s ILE 1083N -3.26 4.67 0.29 -0.61 1.01 -1.26 -2.95 121.20 119.09 1gkg s ILE 1083Ca 0.42 1.54 -0.29 0.00 0.00 0.00 0.00 60.65 62.32 1gkg s ILE 1083Cb -0.18 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.12 1gkg s ILE 1083CO 0.58 0.43 1.04 0.26 0.00 0.00 0.00 174.94 177.26 1gkg s TRP 1084N -0.45 3.64 0.05 3.97 0.52 -1.26 -2.23 118.94 123.18 1gkg s TRP 1084Ca 0.36 1.75 -0.31 0.00 0.02 0.00 0.00 56.10 57.91 1gkg s TRP 1084Cb -0.21 -3.17 -0.17 0.00 -1.15 0.00 0.00 33.47 28.77 1gkg s TRP 1084CO 0.22 -0.27 1.47 0.66 0.02 0.00 0.00 176.95 179.05 1gkg h SER 1085N 3.67 -0.97 -2.97 2.95 4.64 -1.93 -3.42 113.55 115.52 1gkg h SER 1085Ca -0.47 0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.35 1gkg h SER 1085Cb 1.21 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1gkg h SER 1085CO 0.66 -0.68 0.77 -0.83 -0.87 0.00 0.00 176.83 175.88 1gkg s GLY 1086N -1.82 1.96 -0.35 -0.77 0.00 -1.26 -4.92 107.32 100.15 1gkg s GLY 1086Ca -0.16 0.91 -0.03 0.00 0.00 0.00 0.00 44.72 45.43 1gkg s GLY 1086CO 0.50 2.41 2.59 -1.55 0.00 0.00 0.00 173.10 177.04 1gkg n PRO 1087N 4.92 2.12 -1.70 2.90 -0.04 -1.26 -4.68 135.00 137.25 1gkg n PRO 1087Ca 0.12 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 1gkg n PRO 1087Cb 0.44 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gkg n ALA 1088N 0.88 -2.10 -1.00 0.55 0.00 -1.26 -4.95 120.51 112.62 1gkg n ALA 1088Ca 0.41 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.29 1gkg n ALA 1088Cb 0.60 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1gkg n ALA 1088CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gkg n PRO 1089N 0.32 2.96 -3.72 0.00 -0.04 -1.26 -5.03 135.00 128.22 1gkg n PRO 1089Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1gkg n PRO 1089Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1gkg n PRO 1089CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1gkg s GLN 1090N 0.00 0.52 -0.19 0.54 0.74 -1.08 -5.04 119.66 115.16 1gkg s GLN 1090Ca 0.00 0.61 -0.09 0.00 0.05 0.00 0.00 55.36 55.93 1gkg s GLN 1090Cb 0.00 0.25 -0.05 0.00 1.10 0.00 0.00 33.01 34.32 1gkg s GLN 1090CO 0.00 -0.06 0.12 0.00 -0.55 0.00 0.00 175.29 174.79